| CAS Number | 173690-44-3 |
| Catalog Number | AG01EKEG |
| Chemical Name | 4-{[[(9H-fluoren-9-ylmethoxy)carbonyl](methyl)amino]methyl}benzoic acid |
| IUPAC Name | 4-[[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]methyl]benzoic acid |
| InChI | InChI=1S/C24H21NO4/c1-25(14-16-10-12-17(13-11-16)23(26)27)24(28)29-15-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-13,22H,14-15H2,1H3,(H,26,27) |
| InChI Key | RCYMITTUGADOGC-UHFFFAOYSA-N |
| MDL Number | MFCD18351989 |
| Molecular Formula | C24H21NO4 |
| Molecular Weight | 387.4278 |
| SMILES | CN(C(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O)CC1=CC=C(C(O)=O)C=C1 |
| Synonyms | AKOS012712097,
4-({[(9H-fluoren-9-ylmethoxy)carbonyl](methyl)amino}methyl)benzoic acid,
173690-44-3,
CID11058171,
4-[(9H-fluoren-9-ylmethoxycarbonyl-methyl-amino)methyl]benzoic Acid,
|
| Complexity | 563 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 387.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 387.435g/mol |
| Monoisotopic Mass | 387.147g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
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